2-(4-fluoro-3-methoxyphenoxy)ethanamine

C9H12FNO2 — CID 83697045

IUPAC2-(4-fluoro-3-methoxyphenoxy)ethanamine
SMILESCOc1cc(OCCN)ccc1F
InChIInChI=1S/C9H12FNO2/c1-12-9-6-7(13-5-4-11)2-3-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKeyCOQHMIRZIGUYLJ-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.17
Rot. Bonds4

About 2-(4-fluoro-3-methoxyphenoxy)ethanamine

2-(4-fluoro-3-methoxyphenoxy)ethanamine (PubChem CID 83697045) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenoxy)ethanamine
PubChem CID83697045
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-(4-fluoro-3-methoxyphenoxy)ethanamine
SMILESCOc1cc(OCCN)ccc1F
InChIInChI=1S/C9H12FNO2/c1-12-9-6-7(13-5-4-11)2-3-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKeyCOQHMIRZIGUYLJ-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-4-(fluoromethoxy)-2-methoxybenzene
CID 118227774
2-(3-tert-butyl-4-methoxyphenoxy)ethanamine
CID 96672635
2-(4-ethoxy-3-fluorophenoxy)ethanamine
CID 96670711
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
CID 69211241
2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine
CID 58027581
2-(6-chloronaphthalen-2-yl)oxyethanamine
CID 84687251
2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 83232381
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline
CID 114839538
2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
CID 82491313

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenoxy)ethanamine?
The IUPAC name of 2-(4-fluoro-3-methoxyphenoxy)ethanamine (CID 83697045) is 2-(4-fluoro-3-methoxyphenoxy)ethanamine.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenoxy)ethanamine?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenoxy)ethanamine is COc1cc(OCCN)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenoxy)ethanamine?
The InChIKey is COQHMIRZIGUYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-12-9-6-7(13-5-4-11)2-3-8(9)10/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-(4-fluoro-3-methoxyphenoxy)ethanamine?
2-(4-fluoro-3-methoxyphenoxy)ethanamine has a molecular weight of 185.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenoxy)ethanamine is sourced from PubChem (CID 83697045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).